Epi-sesamin

Compound Structure:

Synonyms:

4-[(3aR,6aR)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol

Compound ID:

NMPC-1015

PubChem ID:

Molecular Formula:

C19H18O6

Canonical SMILES:

C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC(=C(C=C5)O)O

InChIKey:

CGEORJKFOZSMEZ-IJKBLAIYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	342.3 g/mol
XLogP3-AA	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	342.11033829 g/mol
Monoisotopic Mass	342.11033829 g/mol
Topological Polar Surface Area	77.4Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Musa sapientum
Musa acuminata

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